ethyl 3-[6-oxidanyl-4-oxidanylidene-5-(2-propan-2-ylphenyl)sulfanyl-pyran-2-yl]benzoate

Systemtic Name: ethyl 3-[6-oxidanyl-4-oxidanylidene-5-(2-propan-2-ylphenyl)sulfanyl-pyran-2-yl]benzoate Openeye Name: ethyl 3-[6-hydroxy-5-(2-isopropylphenyl)sulfanyl-4-oxo-pyran-2-yl]benzoate CAS Name: 3-[6-hydroxy-4-oxo-5-[(2-propan-2-ylphenyl)thio]-2-pyranyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[6-hydroxy-4-oxo-5-(2-propan-2-ylphenyl)sulfanylpyran-2-yl]benzoate Traditional Name: 3-[6-hydroxy-4-keto-5-(o-cumenylthio)pyran-2-yl]benzoic acid ethyl ester Formula: C23H22O5S MolecularWeight: 410.48278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC(=C1)C2=CC(=O)C(=C(O2)O)SC3=CC=CC=C3C(C)C

Isomeric SMILES

CCOC(=O)C1=CC=CC(=C1)C2=CC(=O)C(=C(O2)O)SC3=CC=CC=C3C(C)C

InChI

InChI=1S/C23H22O5S/c1-4-27-22(25)16-9-7-8-15(12-16)19-13-18(24)21(23(26)28-19)29-20-11-6-5-10-17(20)14(2)3/h5-14,26H,4H2,1-3H3